N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide

C23H23N3O5S — CID 70200842

IUPACN-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(C2CC2)nc1OC
InChIInChI=1S/C23H23N3O5S/c1-29-18-10-6-7-11-19(18)31-20-22(24-21(17-12-13-17)25-23(20)30-2)26-32(27,28)15-14-16-8-4-3-5-9-16/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyNNVFYGGLEPMEKW-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.58
Rot. Bonds9

About N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide

N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide (PubChem CID 70200842) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
PubChem CID70200842
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(C2CC2)nc1OC
InChIInChI=1S/C23H23N3O5S/c1-29-18-10-6-7-11-19(18)31-20-22(24-21(17-12-13-17)25-23(20)30-2)26-32(27,28)15-14-16-8-4-3-5-9-16/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyNNVFYGGLEPMEKW-UHFFFAOYSA-N
XLogP4.58
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The IUPAC name of N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide (CID 70200842) is N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)C=Cc2ccccc2)nc(C2CC2)nc1OC.
What is the InChIKey of N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide?
The InChIKey is NNVFYGGLEPMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-29-18-10-6-7-11-19(18)31-20-22(24-21(17-12-13-17)25-23(20)30-2)26-32(27,28)15-14-16-8-4-3-5-9-16/h3-11,14-15,17H,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide?
N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-methoxy-5-(2-methoxyphenoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 70200842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).